pyrazine

C4H4N2 — CID 9261

IUPACpyrazine
SMILESc1cnccn1
InChIInChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
InChIKeyKYQCOXFCLRTKLS-UHFFFAOYSA-N
MW80.09 g/mol
LogP0.48
Rot. Bonds

About pyrazine

pyrazine (PubChem CID 9261) has the molecular formula C4H4N2 and a molecular weight of 80.09 g/mol. Its IUPAC name is pyrazine.

Molecular Properties

Compound Namepyrazine
PubChem CID9261
Molecular FormulaC4H4N2
Molecular Weight80.09 g/mol
Exact Mass80.04
IUPAC Namepyrazine
SMILESc1cnccn1
InChIInChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
InChIKeyKYQCOXFCLRTKLS-UHFFFAOYSA-N
XLogP0.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrazine?
The IUPAC name of pyrazine (CID 9261) is pyrazine.
What is the SMILES notation for pyrazine?
The canonical SMILES for pyrazine is c1cnccn1.
What is the InChIKey of pyrazine?
The InChIKey is KYQCOXFCLRTKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H.
What are the key properties of pyrazine?
pyrazine has a molecular weight of 80.09 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine is sourced from PubChem (CID 9261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).